| SpectraBase Spectrum ID |
J5HDDLCWr1G |
| Name |
(4as,10Ar)-10A-allyl-7-methyl-1,4,4A,9,10,10A-hexahydrophenanthren-3(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.167065327 u |
| Formula |
C18H22O |
| InChI |
InChI=1S/C18H22O/c1-3-8-18-9-6-14-11-13(2)4-5-16(14)17(18)12-15(19)7-10-18/h3-5,11,17H,1,6-10,12H2,2H3/t17-,18-/m1/s1 |
| InChIKey |
QPOPLWHBAGFGPO-QZTJIDSGSA-N |
| Molecular Weight |
254.373 g/mol |
| SMILES |
C1[C@@]2([C@@](CC(C1)=O)([H])C1=C(CC2)C=C(C=C1)C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875431 |
